CID 12050590

Methyl({2-[4-(trifluoromethyl)phenoxy]ethyl})amine hydrochloride

Structural Information

Molecular Formula
C10H12F3NO
SMILES
CNCCOC1=CC=C(C=C1)C(F)(F)F
InChI
InChI=1S/C10H12F3NO/c1-14-6-7-15-9-4-2-8(3-5-9)10(11,12)13/h2-5,14H,6-7H2,1H3
InChIKey
CTJMZUIJSJYWQJ-UHFFFAOYSA-N
Compound name
N-methyl-2-[4-(trifluoromethyl)phenoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

219.0871 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.09438 144.0
[M+Na]+ 242.07632 151.7
[M-H]- 218.07982 143.8
[M+NH4]+ 237.12092 162.4
[M+K]+ 258.05026 149.1
[M+H-H2O]+ 202.08436 135.5
[M+HCOO]- 264.08530 164.7
[M+CH3COO]- 278.10095 190.3
[M+Na-2H]- 240.06177 150.1
[M]+ 219.08655 141.2
[M]- 219.08765 141.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe